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Volumn 81, Issue 11-12, 1996, Pages 1405-1412

Ab initio periodic Hartree-Fock study of lizardite 1T

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CALCULATIONS; ELECTRONIC PROPERTIES; HYDROGEN BONDS; KAOLINITE; MOLECULAR PHYSICS; SILICATES; SILICON;

EID: 0030404676     PISSN: 0003004X     EISSN: None     Source Type: Journal    
DOI: 10.2138/am-1996-11-1213     Document Type: Article
Times cited : (26)

References (15)
  • 2
    • 26544438992 scopus 로고
    • Electronic structure and stability of different crystal phases of magnesium oxide
    • Causà, M., Dovesi, R., Pisani, C., and Roetti, C. (1986) Electronic structure and stability of different crystal phases of magnesium oxide. Physical Review B, 33, 1308-1316.
    • (1986) Physical Review B , vol.33 , pp. 1308-1316
    • Causà, M.1    Dovesi, R.2    Pisani, C.3    Roetti, C.4
  • 4
    • 0001307995 scopus 로고
    • Ab initio approach to molecular crystals: A periodic Hartree-Fock study of crystalline urea
    • Dovesi, R., Causà, M., Orlando, R., Roetti, C., and Saunders, R.V. (1990) Ab initio approach to molecular crystals: A periodic Hartree-Fock study of crystalline urea. Journal of Chemical Physics, 92(12), 7402-7411.
    • (1990) Journal of Chemical Physics , vol.92 , Issue.12 , pp. 7402-7411
    • Dovesi, R.1    Causà, M.2    Orlando, R.3    Roetti, C.4    Saunders, R.V.5
  • 6
    • 33751391078 scopus 로고
    • Periodic ab initio Hartree-Fock calculations of the low-symmetry mineral kaolinite
    • Hess, A.C., and Saunders, V.R. (1992) Periodic ab initio Hartree-Fock calculations of the low-symmetry mineral kaolinite. Journal of Physical Chemistry, 96, 4367-4374.
    • (1992) Journal of Physical Chemistry , vol.96 , pp. 4367-4374
    • Hess, A.C.1    Saunders, V.R.2
  • 7
    • 36849140788 scopus 로고
    • Gaussian-type functions for polyatomic systems I
    • Huzinaga, S. (1965) Gaussian-type functions for polyatomic systems I. Journal of Chemical Physics, 42, 1293-1302.
    • (1965) Journal of Chemical Physics , vol.42 , pp. 1293-1302
    • Huzinaga, S.1
  • 8
    • 0022463347 scopus 로고
    • The orientation of the hydroxyl groups in dickite by X-ray diffraction
    • Joswig, W., and Drits, V.A. (1986) The orientation of the hydroxyl groups in dickite by X-ray diffraction. Neues Jahrbuch für Mineralogie Monatshefte, H.1, 19-22.
    • (1986) Neues Jahrbuch für Mineralogie Monatshefte , Issue.1 , pp. 19-22
    • Joswig, W.1    Drits, V.A.2
  • 9
    • 0019897640 scopus 로고
    • The crystal structure of lizardite 1T: Hydrogen bonds and polytypism
    • Mellini, M. (1982) The crystal structure of lizardite 1T: Hydrogen bonds and polytypism. American Mineralogist, 67, 587-598.
    • (1982) American Mineralogist , vol.67 , pp. 587-598
    • Mellini, M.1
  • 12
    • 0000798783 scopus 로고
    • Hartree-Fock ab initio treatment of crystalline systems
    • Springer, Berlin
    • Pissani, C., Dovesi, R., and Roetti, C. (1988) Hartree-Fock ab initio treatment of crystalline systems: Lecture Notes in Chemistry, volume 48. Springer, Berlin.
    • (1988) Lecture Notes in Chemistry , vol.48
    • Pissani, C.1    Dovesi, R.2    Roetti, C.3
  • 15
    • 0028315687 scopus 로고
    • Refinement of the nacrite structure
    • Zheng, H., and Bailey, S.W. (1994) Refinement of the nacrite structure. Clays and Clay Minerals, 42, 46-52.
    • (1994) Clays and Clay Minerals , vol.42 , pp. 46-52
    • Zheng, H.1    Bailey, S.W.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.